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ethyl 2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetate

ethyl 2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetate structure

CAS No:
38911-93-2
Formula:
C21H27N5O2S
Chemical Name:
ethyl 2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetate
Synonyms:
38911-93-2;Acetic acid, ((5-(2-(1H-benzimidazol-2-yl)ethyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)-, ethyl ester;BRN 0947169;DTXSID00192156;[[5-[2-(1H-Benzimidazol-2-yl)ethyl]-4-cyclohexyl-4H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester

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ethyl 2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetate Basic Attributes

Molecular Weight：

413.5 g/mol

Exact Mass：

413.18854629 g/mol

DSSTox ID：

DTXSID00192156

Characteristics

PSA：

111 Å²

Computed Properties

Molecular Weight:413.5
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:413.18854629
Monoisotopic Mass:413.18854629
Topological Polar Surface Area:111
Heavy Atom Count:29
Complexity:533
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetate

Basic Attributes
Characteristics
Computed Properties
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